- InChI
- InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h6H,4-5H2,1-3H3
- InChI Key
- JLAVFLRQAWOKRL-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCCOC(=O)C=C(C)C
- Molecular Weight1
- 142.20
- CAS
- 56922-71-5
- Other Names
-
- 2-Butenoic acid, 3-methyl, propyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -145.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.00 ± 0.20 | kJ/mol | NIST |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| Inp | [995.00; 995.00] |
|
|
| Inp | 995.00 | NIST | |
| Inp | 995.00 | NIST | |
| Tboil | 462.77 | K | Joback Calculated Property |
| Tc | 649.52 | K | Joback Calculated Property |
| Tfus | 233.04 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.21; 328.27] | J/mol×K | [462.77; 649.52] |
|
| Cp,gas | 263.21 | J/mol×K | 462.77 | Joback Calculated Property |
| Cp,gas | 275.29 | J/mol×K | 493.90 | Joback Calculated Property |
| Cp,gas | 286.87 | J/mol×K | 525.02 | Joback Calculated Property |
| Cp,gas | 297.94 | J/mol×K | 556.15 | Joback Calculated Property |
| Cp,gas | 308.52 | J/mol×K | 587.27 | Joback Calculated Property |
| Cp,gas | 318.63 | J/mol×K | 618.40 | Joback Calculated Property |
| Cp,gas | 328.27 | J/mol×K | 649.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, propyl ester.
Sources
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